{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2808278 2.1692588 2.4401993 ] [ -1.1369284 0.9597733 -0.5838864 ] [ 0.3053288 -0.6624279 -1.1812646 ] [ 2.0664584 -1.0730848 -2.0730499 ] [ -0.1212554 0.9906869 1.0246073 ] [ 0.6131632 -1.8716944 -1.6082395 ] [ -0.351307 1.1847225 3.6715668 ] [ -0.0946319 -1.6972344 -1.6899329 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.052112356430698e-09 3.475535733824664e-09 3.909630268552526e-09 ] [ -1.821560102003551e-09 1.537726342528065e-09 -9.354891392830773e-10 ] [ 4.891906650169191e-10 -1.06132649434564e-09 -1.892594525098664e-09 ] [ 3.310831336335775e-09 -1.719271378695844e-09 -3.321392083531778e-09 ] [ -1.942725670257523e-10 1.587255389712828e-09 1.641601861561012e-09 ] [ 9.823957437749147e-10 -2.998785008962283e-09 -2.576683727547082e-09 ] [ -5.628558621233856e-10 1.898134691635728e-09 5.882498488665469e-09 ] [ -1.516170177618835e-10 -2.719269275697515e-09 -2.707570983100744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.539316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.694026121442338e-18 } }